4CT1
Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-04 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 148.600, 44.610, 48.000 |
Unit cell angles | 90.00, 101.84, 90.00 |
Refinement procedure
Resolution | 26.263 - 1.850 |
R-factor | 0.1722 |
Rwork | 0.170 |
R-free | 0.21550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hrc |
RMSD bond length | 0.012 |
RMSD bond angle | 1.433 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.000 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.120 | 0.720 |
Number of reflections | 26467 | |
<I/σ(I)> | 14.8 | 3.1 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.2 M NA CITRATE, 0.1 M HEPES PH 7.5, 10 MM DTT |